******************************************************************************* ** Site#: 9872 For non-commercial use only Version 17.239W 64BITS ** ******************************************************************************* ** Cite this program as: MOPAC2016, Version: 17.239W, James J. P. Stewart, ** ** Stewart Computational Chemistry, web: HTTP://OpenMOPAC.net. Days left: 361** ******************************************************************************* ** ** ** MOPAC2016 ** ** ** ******************************************************************************* PM7 CALCULATION RESULTS ******************************************************************************* * CALCULATION DONE: Thu Aug 31 21:53:05 2017 * * GEO-OK - OVERRIDE INTERATOMIC DISTANCE AND OTHER SAFETY CHECKS * INVERT - REVERSE ALL OPTIMIZATION FLAGS * GEO_DAT - DATA SET GEOMETRY IS IN FILE "../TS/STEP 4-5.ARC" * MOZYME - USE LOCALIZED M.O.s IN SOLVING THE SCF EQUATIONS * * * * CHARGE ON SYSTEM = -1 * * * * EPS= 78.40 - USE ANDREAS KLAMT'S COSMO IMPLICIT SOLVATION MODEL * XYZ - CARTESIAN COORDINATE SYSTEM TO BE USED * FORCETS - VERIFY THAT TRANSITION STATE IS GENUINE * T= - A TIME OF 1.0 WEEKS REQUESTED * DUMP=N - RESTART FILE WRITTEN EVERY 7200.000 SECONDS * OUTPUT - REDUCE OUTPUT, BUT PRINT: * N - NORMAL COORDINATES) * ISOTOPE - FORCE MATRIX WRITTEN TO DISK (CHAN. 9 ) ******************************************************************************* invert output xyz EPS=78.4 geo-ok GEO_DAT="../TS/Step 4-5.arc" T=1W CHARGE=-1 MOZYME FORCETS output(N) isotope Verify that the Chymotrypsin Step 4-5 transition state is valid General Reference for PM7: "Optimization of Parameters for Semiempirical Methods VI: More Modifications to the NDDO Approximations and Re-optimization of Parameters", J. J. P. Stewart, J. Mol. Mod., 1:32, 19 (2013) http://www.springerlink.com/openurl.asp?genre=article&id=doi:10.1007/s00894-012-1667-x Empirical Formula: C1115 H2449 N302 O704 S16 = 4586 atoms Ion Atom No. Label Charge (Distances are between charged sites predicted by Lewis structure theory) 1 N 144 (ATOM 144 N SER E 11) +1 (2.5 Angstroms from anion O 214, Label: ATOM 215 OE2 GLU F 20) 2 N 148 (ATOM 149 N ILE F 16) +1 (2.6 Angstroms from anion O 2727, Label: ATOM 2729 OD2 ASP G 194) 3 C 2141 (ATOM 2143 CZ ARG G 154) +1 (4.4 Angstroms from anion O 229, Label: ATOM 230 OE2 GLU F 21) 4 O 4584 (HETATM 4588 O HOH C 647) +1 (2.3 Angstroms from anion O 3485, Label: ATOM 3488 O TRP C 252) 1 O 214 (ATOM 215 OE2 GLU F 20) -1 (2.5 Angstroms from cation N 144, Label: ATOM 144 N SER E 11) 2 O 229 (ATOM 230 OE2 GLU F 21) -1 (4.4 Angstroms from cation C 2141, Label: ATOM 2143 CZ ARG G 154) 3 O 1445 (ATOM 1446 OD2 ASP F 102) -1 (7.0 Angstroms from cation O 4584, Label: HETATM 4588 O HOH C 647) 4 O 2727 (ATOM 2729 OD2 ASP G 194) -1 (2.6 Angstroms from cation N 148, Label: ATOM 149 N ILE F 16) 5 O 3485 (ATOM 3488 O TRP C 252) -1 (2.3 Angstroms from cation O 4584, Label: HETATM 4588 O HOH C 647) COMPUTED CHARGE ON SYSTEM: -1, THIS AGREES WITH THE CHARGE DEFINED BY KEYWORD "CHARGE" HEAT OF FORMATION = -47885.783452 KCALS/MOLE GRADIENT NORM = 7.02433 TIME FOR SCF CALCULATION = 2008.84 TIME FOR DERIVATIVES = 820.03 FIRST DERIVATIVES WILL BE USED IN THE CALCULATION OF SECOND DERIVATIVES ESTIMATED TIME TO COMPLETE CALCULATION = 169732.03 SECONDS STEP: 1 TIME = 3245.91 SECS, INTEGRAL = 3245.91 TIME LEFT: 598725.22 STEP: 2 TIME = 1466.16 SECS, INTEGRAL = 4712.08 TIME LEFT: 597259.05 STEP: 3 RESTART FILE WRITTEN, INTEGRAL = 6140.97 TIME LEFT: 595830.16 STEP: 4 TIME = 1652.80 SECS, INTEGRAL = 7793.77 TIME LEFT: 594177.36 STEP: 5 TIME = 2016.73 SECS, INTEGRAL = 9810.50 TIME LEFT: 592160.63 STEP: 6 TIME = 1646.94 SECS, INTEGRAL = 11457.44 TIME LEFT: 590513.70 STEP: 7 TIME = 1759.41 SECS, INTEGRAL = 13216.84 TIME LEFT: 588754.29 STEP: 8 RESTART FILE WRITTEN, INTEGRAL = 14818.99 TIME LEFT: 587152.14 STEP: 9 TIME = 3481.99 SECS, INTEGRAL = 18300.98 TIME LEFT: 583670.15 STEP: 10 TIME = 1042.50 SECS, INTEGRAL = 19343.48 TIME LEFT: 582627.65 STEP: 11 TIME = 1491.68 SECS, INTEGRAL = 20835.16 TIME LEFT: 581135.97 STEP: 12 RESTART FILE WRITTEN, INTEGRAL = 21869.38 TIME LEFT: 580101.75 STEP: 13 TIME = 983.72 SECS, INTEGRAL = 22853.10 TIME LEFT: 579118.03 STEP: 14 TIME = 2019.45 SECS, INTEGRAL = 24872.55 TIME LEFT: 577098.58 STEP: 15 TIME = 1233.41 SECS, INTEGRAL = 26105.96 TIME LEFT: 575865.17 STEP: 16 TIME = 1138.20 SECS, INTEGRAL = 27244.16 TIME LEFT: 574726.98 STEP: 17 TIME = 1436.01 SECS, INTEGRAL = 28680.16 TIME LEFT: 573290.97 STEP: 18 RESTART FILE WRITTEN, INTEGRAL = 30224.68 TIME LEFT: 571746.45 STEP: 19 TIME = 2734.66 SECS, INTEGRAL = 32959.34 TIME LEFT: 569011.79 STEP: 20 TIME = 2856.62 SECS, INTEGRAL = 35815.97 TIME LEFT: 566155.16 STEP: 21 TIME = 1515.72 SECS, INTEGRAL = 37331.69 TIME LEFT: 564639.45 STEP: 22 RESTART FILE WRITTEN, INTEGRAL = 93096.65 TIME LEFT: 508874.48 STEP: 23 RESTART FILE WRITTEN, INTEGRAL = 94321.87 TIME LEFT: 507649.27 STEP: 24 TIME = 921.97 SECS, INTEGRAL = 95243.84 TIME LEFT: 506727.30 STEP: 25 TIME = 965.17 SECS, INTEGRAL = 96209.01 TIME LEFT: 505762.12 STEP: 26 TIME = 6191.16 SECS, INTEGRAL = 102400.16 TIME LEFT: 499570.97 STEP: 27 RESTART FILE WRITTEN, INTEGRAL = 103709.88 TIME LEFT: 498261.25 STEP: 28 TIME = 5498.17 SECS, INTEGRAL = 109208.05 TIME LEFT: 492763.08 STEP: 29 TIME = 1733.38 SECS, INTEGRAL = 110941.43 TIME LEFT: 491029.70 STEP: 30 RESTART FILE WRITTEN, INTEGRAL = 112315.12 TIME LEFT: 489656.02 MOLECULAR WEIGHT =31867.17 ROTATIONAL CONSTANTS IN CM(-1) A = 0.00000350 B = 0.00000292 C = 0.00000256 PRINCIPAL MOMENTS OF INERTIA IN UNITS OF 10**(-40)*GRAM-CM**2 A = 7989161.2653 B = 9602440.6259 C = 10919868.5692 HEAT OF FORMATION = -47885.744580 KCALS/MOLE ZERO POINT ENERGY 49.305 KCAL/MOL NOTE: SYSTEM IS NOT A GROUND STATE, THEREFORE ZERO POINT ENERGY IS NOT MEANINGFULL. ZERO POINT ENERGY PRINTED DOES NOT INCLUDE THE 1 IMAGINARY FREQUENCIES Atoms used in the FORCETS calculation 1 C(ATOM 760 CD2 HIS F 57) 31.08053598 +1 2.48570590 +1 33.98106307 +1 2 N(ATOM 761 NE2 HIS F 57) 29.81299113 +1 2.73201789 +1 34.49178675 +1 3 C(ATOM 762 CE1 HIS F 57) 29.56445300 +1 4.06195247 +1 34.35514228 +1 4 O(ATOM 2739 OG SER G 195) 27.01871270 +1 3.01507887 +1 35.56987533 +1 5 C(ATOM 3486 CA TRP C 252) 27.41353334 +1 2.18437406 +1 37.81041320 +1 6 C(ATOM 3487 C TRP C 252) 26.97860627 +1 1.85010979 +1 36.35492347 +1 7 O(ATOM 3488 O TRP C 252) 26.00188040 +1 1.08730131 +1 36.20727440 +1 8 O(HETATM 4588 O HOH C 647) 28.28474109 +1 1.16836164 +1 35.73986953 +1 9 H(HETATM 4589 1H HOH C 647) 28.67118559 +1 0.40668246 +1 36.19199535 +1 10 H(HETATM 4590 2H HOH C 647) 29.06447335 +1 1.92561769 +1 35.17780239 +1 NORMAL COORDINATE ANALYSIS (Total motion = 1 Angstrom) Root No. 1 2 3 4 5 6 7 8 1 2 3 4 5 6 7 8 -1168.0 232.5 259.0 282.6 392.8 467.1 511.0 523.8 1 0.0007 0.0619 0.0050 0.0091 -0.0168 -0.0067 -0.0050 0.1522 2 -0.0022 0.0255 -0.0002 0.0003 -0.0021 -0.0007 0.0041 0.0589 3 0.0011 0.1420 -0.0049 -0.0003 0.0016 -0.0035 0.0156 0.3419 4 -0.0067 0.1265 0.0068 0.0134 -0.0233 -0.0080 -0.0097 -0.0059 5 -0.0049 0.0558 -0.0028 0.0015 -0.0131 -0.0003 0.0086 -0.0058 6 0.0099 0.2935 -0.0067 0.0032 0.0052 -0.0027 0.0021 -0.0292 7 0.0000 0.0617 -0.0004 0.0022 -0.0055 -0.0023 -0.0073 -0.1313 8 0.0075 0.0250 -0.0057 -0.0014 -0.0057 0.0021 0.0062 -0.0564 9 0.0008 0.1535 -0.0023 0.0012 -0.0031 -0.0031 -0.0147 -0.3217 10 -0.0012 0.0028 0.0784 0.2422 0.1890 0.0142 -0.0124 0.0033 11 0.0092 -0.0076 -0.0904 0.1046 -0.1375 -0.0371 -0.0001 0.0005 12 -0.0057 -0.0005 -0.0301 -0.1180 -0.0924 0.0320 -0.0006 0.0006 13 -0.0050 -0.0015 0.0084 0.0095 -0.0146 0.0238 -0.0102 0.0028 14 0.0022 0.0009 -0.0129 0.0214 -0.0072 0.0296 -0.0018 0.0003 15 0.0022 0.0031 -0.0113 -0.0037 -0.0022 0.0965 -0.0089 0.0027 16 0.0124 -0.0034 0.1286 0.0927 -0.1293 0.0627 0.0029 -0.0001 17 -0.0151 -0.0054 -0.1141 0.1666 -0.0455 0.0174 -0.0167 0.0020 18 -0.0051 0.0048 -0.0390 -0.0432 0.0356 0.1724 -0.0324 0.0091 19 -0.0786 -0.0062 0.1521 0.0291 -0.1984 0.0632 0.0045 -0.0025 20 0.0500 -0.0022 -0.1442 0.2353 0.0656 0.0039 -0.0151 0.0039 21 0.0348 0.0056 -0.0597 -0.0797 0.0574 0.1770 -0.0284 0.0098 22 -0.1439 -0.0022 0.1282 0.0426 -0.0806 0.0476 0.0039 -0.0061 23 0.0050 -0.0137 -0.0260 0.0142 -0.1045 0.0134 -0.0138 0.0093 24 0.0696 0.0269 0.0442 0.0128 0.0344 0.1266 0.0052 -0.0113 25 -0.1409 -0.0294 0.0863 0.0250 -0.0240 0.1062 0.2924 -0.0456 26 0.0200 -0.0230 -0.1484 0.0605 -0.0103 0.1013 0.4461 -0.0734 27 0.0580 0.0451 -0.1038 0.0978 0.1173 0.2176 0.5733 -0.1264 28 0.2627 0.0872 0.0215 0.0491 -0.0450 0.0279 -0.0532 -0.0225 29 0.3307 0.0284 -0.0643 -0.0128 -0.0005 0.0420 0.0166 0.0214 30 -0.3151 0.2154 0.0755 -0.0087 -0.0463 0.0201 0.0197 -0.0286 Root No. 9 10 11 12 13 14 15 16 9 10 11 12 13 14 15 16 608.3 658.6 728.8 779.4 836.2 950.0 964.0 990.8 1 0.1789 0.0582 0.0374 0.0175 0.0142 -0.0200 0.0385 -0.0360 2 -0.0401 0.0323 0.0150 -0.0018 0.0109 0.0052 0.0138 -0.0261 3 -0.0602 0.1558 -0.0232 -0.0124 -0.0012 0.0077 -0.0195 0.0191 4 0.1597 -0.0935 0.0517 0.0251 -0.0027 -0.0064 0.0219 -0.0119 5 -0.1318 -0.0271 0.0843 0.0140 0.0209 -0.0021 0.0380 -0.0404 6 -0.0581 -0.1748 -0.0236 0.0026 -0.0345 0.0182 -0.0177 0.0204 7 0.0559 0.0858 0.0053 0.0063 0.0028 -0.0161 0.0105 -0.0004 8 -0.1284 0.0452 0.0668 0.0061 0.0272 -0.0049 0.0369 -0.0423 9 0.0139 0.2098 -0.0162 -0.0056 0.0014 0.0036 -0.0095 0.0070 10 -0.0062 0.0029 -0.0037 0.0994 0.0145 0.0497 -0.0047 -0.0035 11 -0.0152 -0.0026 -0.0317 0.1349 0.0133 -0.1404 0.0054 0.0056 12 -0.0012 -0.0009 -0.0143 0.1125 0.0203 0.2086 -0.0204 -0.0188 13 -0.0020 0.0055 0.0068 -0.0009 -0.0318 0.0267 0.0039 -0.0636 14 0.0002 -0.0021 -0.0039 -0.0545 0.0003 -0.0436 0.0457 0.0152 15 -0.0013 -0.0028 -0.0159 0.0104 0.0178 0.0768 0.1420 0.0914 16 -0.0120 0.0038 -0.0084 -0.0137 -0.0140 0.0021 0.0023 -0.0102 17 0.0027 0.0000 0.0125 -0.0602 -0.0025 0.0660 -0.0136 0.0012 18 0.0026 0.0027 0.0051 0.0214 -0.0041 -0.0586 -0.0265 -0.0097 19 0.0113 0.0020 0.0553 -0.0541 0.0502 0.0123 -0.0716 0.0691 20 -0.0191 0.0030 -0.0492 0.0411 -0.0570 -0.0040 0.0536 -0.0635 21 -0.0078 0.0082 -0.0230 -0.0867 -0.1006 0.0180 0.1173 -0.1037 22 0.0504 -0.0103 0.1059 -0.0632 0.1262 0.0538 -0.1485 0.1020 23 0.0021 -0.0047 0.0653 -0.0152 0.0630 -0.0710 -0.0188 0.0757 24 0.0190 -0.0497 -0.0857 -0.1303 0.1895 -0.0310 -0.0760 0.0425 25 0.0301 0.0699 0.2277 0.1324 -0.0727 -0.0281 -0.1684 0.2519 26 0.0502 0.0397 0.1043 0.0881 -0.0898 -0.0417 0.0115 0.0527 27 0.1082 -0.0531 -0.1797 -0.1190 0.0969 0.0545 0.0389 -0.1851 28 0.1739 -0.1158 0.0415 -0.1372 0.1988 0.1153 -0.1689 0.0184 29 -0.1085 -0.0394 0.1222 0.0156 0.0846 -0.1403 -0.0376 0.1049 30 -0.0784 -0.1925 -0.1218 -0.0852 0.2382 -0.2560 0.0439 -0.0644 Root No. 17 18 19 20 21 22 23 24 17 18 19 20 21 22 23 24 1019.5 1047.4 1087.0 1162.0 1292.8 1295.8 1379.5 1448.3 1 0.0026 -0.0137 -0.0047 0.0433 -0.0114 -0.0387 0.0423 -0.0739 2 -0.0009 -0.0280 0.0328 0.1291 0.1712 0.0176 -0.0278 0.0371 3 -0.0021 0.0115 -0.0034 -0.0421 -0.0277 0.0154 -0.0139 0.0262 4 0.0065 -0.0087 -0.0042 -0.0439 -0.0251 0.0194 -0.0442 0.1197 5 0.0047 -0.0276 0.0100 -0.0026 -0.0617 -0.0134 0.0060 -0.0157 6 0.0071 -0.0099 0.0110 0.0100 0.0322 -0.0137 0.0191 -0.0493 7 0.0005 0.0188 -0.0371 -0.1121 0.1774 0.0344 0.0064 -0.0439 8 0.0011 -0.0160 -0.0062 -0.0623 -0.0006 0.0233 0.0201 0.0015 9 -0.0012 -0.0021 0.0138 0.0557 -0.0758 -0.0187 -0.0078 0.0207 10 0.0501 0.0087 -0.0022 0.0001 -0.0021 -0.0017 -0.0134 -0.0080 11 -0.0007 -0.0033 0.0312 -0.0065 -0.0058 0.0104 0.0018 -0.0032 12 0.1063 0.0128 -0.0201 0.0034 0.0047 -0.0066 0.0036 0.0046 13 -0.1053 0.1302 0.0911 -0.0281 0.0155 -0.0250 -0.0056 0.0004 14 0.4657 0.0339 0.0288 -0.0017 -0.0009 0.0031 0.0018 0.0004 15 -0.1360 0.0068 0.0269 -0.0001 -0.0037 0.0079 -0.0009 -0.0047 16 -0.0041 -0.0080 -0.0165 0.0045 -0.0009 0.0010 0.0044 0.0048 17 -0.0131 -0.0024 -0.0113 0.0009 0.0050 -0.0065 -0.0023 -0.0035 18 -0.0048 -0.0135 -0.0020 -0.0007 -0.0020 0.0016 -0.0054 -0.0039 19 0.0470 -0.0450 0.0797 -0.0686 0.0079 -0.0596 -0.2076 -0.1710 20 -0.0855 0.0342 -0.0807 0.0687 0.0026 0.0562 0.2511 0.2061 21 0.0626 0.1074 -0.0823 0.0886 -0.0847 0.1307 0.0583 0.0265 22 -0.0115 -0.0090 0.1368 -0.0647 0.0288 -0.0191 0.0530 0.0419 23 -0.0111 0.0344 -0.0117 -0.0102 0.0272 -0.0924 -0.0968 0.0218 24 -0.0010 -0.0665 0.1161 -0.1263 0.1518 -0.1873 0.1590 0.1733 25 0.0370 0.1043 0.0498 0.0866 0.0586 0.0617 0.2279 0.0599 26 -0.0084 0.0834 -0.0843 0.0895 -0.0511 0.0346 -0.1570 -0.0918 27 -0.0461 -0.1055 0.0620 -0.1032 -0.0087 -0.0316 -0.0045 0.0249 28 -0.0968 0.0886 0.1190 0.1034 -0.1701 0.3300 0.0118 -0.1334 29 -0.0371 0.2501 -0.2079 0.0787 0.1118 -0.2125 -0.0464 0.0716 30 -0.1271 0.2694 -0.2101 0.1480 -0.0514 0.0442 -0.0045 -0.0054 Root No. 25 26 27 28 29 30 25 26 27 28 29 30 1542.5 1587.0 1791.2 2405.8 3767.8 4477.9 1 -0.0010 0.0376 0.0036 0.0027 0.0000 -0.0000 2 0.0011 0.0068 -0.0029 -0.0001 -0.0002 -0.0000 3 0.0001 -0.0187 -0.0010 -0.0012 0.0000 0.0000 4 0.0007 0.0098 -0.0110 -0.0116 -0.0030 -0.0003 5 0.0096 -0.2345 -0.0054 -0.0164 -0.0025 -0.0002 6 0.0011 0.0436 0.0089 0.0114 0.0023 0.0002 7 0.0041 -0.1028 0.0016 -0.0012 0.0001 0.0001 8 -0.0132 0.2455 0.0084 0.0038 0.0006 0.0002 9 0.0007 -0.0012 -0.0024 0.0002 -0.0001 -0.0001 10 0.0124 0.0053 0.0035 -0.0018 0.0025 -0.0010 11 0.0226 0.0032 -0.0066 0.0035 -0.0029 -0.0053 12 0.0007 -0.0005 0.0030 -0.0020 0.0001 0.0029 13 -0.0164 0.0019 0.0027 -0.0060 0.0012 -0.0026 14 -0.0208 -0.0049 -0.0013 0.0033 0.0004 -0.0022 15 -0.0101 -0.0011 -0.0065 0.0037 -0.0003 -0.0028 16 -0.0069 -0.0036 0.0030 -0.0006 0.0004 -0.0150 17 0.0019 0.0066 -0.0065 -0.0078 0.0011 -0.0121 18 -0.0138 -0.0014 -0.0015 0.0011 0.0013 -0.0034 19 0.0845 0.1278 -0.0913 -0.0473 -0.0606 0.6105 20 -0.2057 -0.1742 0.0950 0.1356 -0.0431 0.4855 21 0.5373 0.0369 0.0355 0.0464 -0.0194 0.0862 22 0.0854 -0.0588 0.0238 0.4423 -0.1581 -0.1034 23 0.0483 -0.0285 0.3204 0.0620 0.4395 0.0623 24 0.1355 0.0046 0.1602 -0.2480 -0.2030 0.0076 25 0.0506 0.0515 -0.1073 -0.1470 0.1526 0.0185 26 -0.0630 0.0127 0.2414 -0.0169 -0.2958 -0.0389 27 0.0159 -0.0377 -0.1252 0.0838 0.1710 0.0200 28 -0.0536 -0.0742 0.0300 -0.0489 0.0199 0.0130 29 0.0248 0.0293 -0.1577 0.0921 -0.0129 0.0060 30 -0.0448 0.0252 -0.0098 -0.0553 -0.0135 -0.0072 MASS-WEIGHTED COORDINATE ANALYSIS (NORMAL COORDINATES) Root No. 1 2 3 4 5 6 7 8 1 2 3 4 5 6 7 8 -1168.0 232.5 259.0 282.6 392.8 467.1 511.0 523.8 1 0.0045 0.1634 0.0161 0.0209 -0.0475 -0.0212 -0.0225 0.3029 2 -0.0138 0.0674 -0.0005 0.0008 -0.0060 -0.0021 0.0185 0.1171 3 0.0067 0.3749 -0.0156 -0.0007 0.0045 -0.0111 0.0707 0.6802 4 -0.0388 0.3094 0.0202 0.0286 -0.0611 -0.0235 -0.0407 -0.0110 5 -0.0284 0.1365 -0.0083 0.0032 -0.0343 -0.0009 0.0361 -0.0108 6 0.0574 0.7176 -0.0199 0.0068 0.0136 -0.0079 0.0087 -0.0539 7 0.0001 0.1508 -0.0010 0.0047 -0.0143 -0.0067 -0.0308 -0.2418 8 0.0437 0.0612 -0.0170 -0.0029 -0.0150 0.0062 0.0261 -0.1040 9 0.0047 0.3755 -0.0069 0.0026 -0.0081 -0.0092 -0.0617 -0.5927 10 -0.0080 0.0078 0.2683 0.5948 0.5705 0.0483 -0.0602 0.0070 11 0.0612 -0.0216 -0.3097 0.2568 -0.4153 -0.1260 -0.0007 0.0011 12 -0.0379 -0.0014 -0.1030 -0.2897 -0.2790 0.1087 -0.0027 0.0014 13 -0.0291 -0.0036 0.0249 0.0203 -0.0381 0.0701 -0.0430 0.0051 14 0.0128 0.0022 -0.0383 0.0454 -0.0189 0.0871 -0.0075 0.0006 15 0.0129 0.0075 -0.0334 -0.0079 -0.0057 0.2839 -0.0373 0.0049 16 0.1175 -0.0134 0.6232 0.3221 -0.5525 0.3013 0.0199 -0.0002 17 -0.1433 -0.0216 -0.5532 0.5791 -0.1944 0.0836 -0.1148 0.0060 18 -0.0485 0.0194 -0.1890 -0.1501 0.1520 0.8286 -0.2225 0.0274 19 -0.1320 -0.0044 0.1307 0.0179 -0.1504 0.0539 0.0055 -0.0013 20 0.0840 -0.0016 -0.1239 0.1450 0.0497 0.0033 -0.0184 0.0021 21 0.0584 0.0039 -0.0513 -0.0491 0.0435 0.1509 -0.0345 0.0052 22 -0.2415 -0.0016 0.1102 0.0263 -0.0611 0.0406 0.0047 -0.0033 23 0.0083 -0.0097 -0.0223 0.0087 -0.0792 0.0114 -0.0168 0.0050 24 0.1168 0.0191 0.0380 0.0079 0.0261 0.1079 0.0063 -0.0060 25 -0.2365 -0.0208 0.0741 0.0154 -0.0182 0.0905 0.3559 -0.0243 26 0.0336 -0.0163 -0.1275 0.0373 -0.0078 0.0863 0.5430 -0.0392 27 0.0974 0.0319 -0.0892 0.0603 0.0889 0.1855 0.6979 -0.0674 28 0.4411 0.0618 0.0185 0.0303 -0.0341 0.0238 -0.0647 -0.0120 29 0.5551 0.0201 -0.0553 -0.0079 -0.0004 0.0358 0.0202 0.0114 30 -0.5290 0.1526 0.0649 -0.0054 -0.0351 0.0171 0.0240 -0.0153 Root No. 9 10 11 12 13 14 15 16 9 10 11 12 13 14 15 16 608.3 658.6 728.8 779.4 836.2 950.0 964.0 990.8 1 0.5675 0.1728 0.2215 0.0674 0.1028 -0.0605 0.2057 -0.2131 2 -0.1273 0.0958 0.0889 -0.0069 0.0790 0.0158 0.0737 -0.1544 3 -0.1910 0.4624 -0.1375 -0.0478 -0.0086 0.0234 -0.1040 0.1132 4 0.4692 -0.2569 0.2836 0.0894 -0.0179 -0.0180 0.1084 -0.0651 5 -0.3872 -0.0744 0.4621 0.0500 0.1397 -0.0059 0.1879 -0.2215 6 -0.1708 -0.4804 -0.1293 0.0094 -0.2305 0.0511 -0.0874 0.1117 7 0.1642 0.2358 0.0293 0.0224 0.0184 -0.0449 0.0521 -0.0024 8 -0.3771 0.1242 0.3662 0.0217 0.1823 -0.0138 0.1827 -0.2315 9 0.0410 0.5765 -0.0886 -0.0200 0.0092 0.0102 -0.0469 0.0382 10 -0.0210 0.0092 -0.0233 0.4095 0.1116 0.1606 -0.0266 -0.0223 11 -0.0514 -0.0084 -0.2005 0.5555 0.1029 -0.4536 0.0310 0.0353 12 -0.0042 -0.0028 -0.0905 0.4632 0.1570 0.6740 -0.1164 -0.1189 13 -0.0059 0.0150 0.0374 -0.0030 -0.2127 0.0747 0.0194 -0.3485 14 0.0007 -0.0059 -0.0212 -0.1943 0.0018 -0.1220 0.2262 0.0830 15 -0.0037 -0.0078 -0.0872 0.0372 0.1194 0.2150 0.7026 0.5006 16 -0.0577 0.0171 -0.0751 -0.0801 -0.1533 0.0097 0.0186 -0.0916 17 0.0131 0.0001 0.1123 -0.3510 -0.0275 0.3019 -0.1099 0.0106 18 0.0125 0.0122 0.0457 0.1249 -0.0450 -0.2680 -0.2144 -0.0872 19 0.0096 0.0016 0.0879 -0.0559 0.0973 0.0099 -0.1026 0.1097 20 -0.0163 0.0024 -0.0781 0.0424 -0.1105 -0.0032 0.0768 -0.1007 21 -0.0066 0.0065 -0.0366 -0.0896 -0.1949 0.0146 0.1682 -0.1645 22 0.0429 -0.0082 0.1682 -0.0653 0.2447 0.0437 -0.2128 0.1617 23 0.0018 -0.0037 0.1037 -0.0157 0.1220 -0.0576 -0.0269 0.1201 24 0.0162 -0.0396 -0.1361 -0.1347 0.3672 -0.0252 -0.1089 0.0674 25 0.0256 0.0557 0.3617 0.1369 -0.1409 -0.0228 -0.2413 0.3995 26 0.0427 0.0316 0.1657 0.0910 -0.1741 -0.0338 0.0165 0.0835 27 0.0921 -0.0423 -0.2854 -0.1230 0.1877 0.0442 0.0558 -0.2936 28 0.1480 -0.0922 0.0659 -0.1418 0.3853 0.0935 -0.2421 0.0292 29 -0.0923 -0.0314 0.1941 0.0161 0.1640 -0.1138 -0.0539 0.1664 30 -0.0667 -0.1532 -0.1934 -0.0881 0.4616 -0.2077 0.0629 -0.1021 Root No. 17 18 19 20 21 22 23 24 17 18 19 20 21 22 23 24 1019.5 1047.4 1087.0 1162.0 1292.8 1295.8 1379.5 1448.3 1 0.0053 -0.0757 -0.0296 0.1996 -0.0423 -0.2615 0.2860 -0.3982 2 -0.0018 -0.1548 0.2049 0.5955 0.6333 0.1191 -0.1878 0.1998 3 -0.0043 0.0638 -0.0210 -0.1943 -0.1025 0.1039 -0.0942 0.1413 4 0.0125 -0.0445 -0.0242 -0.1875 -0.0861 0.1215 -0.2767 0.5970 5 0.0090 -0.1412 0.0580 -0.0109 -0.2113 -0.0840 0.0379 -0.0784 6 0.0138 -0.0509 0.0638 0.0427 0.1103 -0.0857 0.1196 -0.2460 7 0.0010 0.0962 -0.2146 -0.4789 0.6077 0.2155 0.0399 -0.2188 8 0.0021 -0.0822 -0.0358 -0.2662 -0.0020 0.1459 0.1263 0.0073 9 -0.0022 -0.0106 0.0796 0.2381 -0.2596 -0.1172 -0.0488 0.1030 10 0.1115 0.0516 -0.0148 0.0005 -0.0085 -0.0125 -0.0966 -0.0463 11 -0.0015 -0.0192 0.2083 -0.0319 -0.0228 0.0749 0.0133 -0.0184 12 0.2365 0.0756 -0.1341 0.0169 0.0184 -0.0476 0.0263 0.0265 13 -0.2030 0.6668 0.5266 -0.1199 0.0532 -0.1565 -0.0348 0.0020 14 0.8974 0.1734 0.1667 -0.0075 -0.0029 0.0197 0.0111 0.0021 15 -0.2621 0.0347 0.1553 -0.0006 -0.0125 0.0492 -0.0057 -0.0236 16 -0.0130 -0.0668 -0.1555 0.0318 -0.0053 0.0097 0.0447 0.0387 17 -0.0413 -0.0198 -0.1072 0.0062 0.0278 -0.0665 -0.0234 -0.0283 18 -0.0152 -0.1131 -0.0192 -0.0050 -0.0112 0.0163 -0.0551 -0.0316 19 0.0263 -0.0668 0.1335 -0.0848 0.0079 -0.1081 -0.3770 -0.2470 20 -0.0477 0.0507 -0.1352 0.0851 0.0025 0.1019 0.4558 0.2978 21 0.0349 0.1594 -0.1377 0.1096 -0.0840 0.2371 0.1058 0.0383 22 -0.0064 -0.0134 0.2291 -0.0800 0.0285 -0.0346 0.0962 0.0605 23 -0.0062 0.0511 -0.0196 -0.0126 0.0270 -0.1675 -0.1758 0.0315 24 -0.0006 -0.0986 0.1945 -0.1562 0.1506 -0.3397 0.2887 0.2504 25 0.0207 0.1547 0.0834 0.1072 0.0581 0.1119 0.4138 0.0866 26 -0.0047 0.1238 -0.1412 0.1108 -0.0507 0.0627 -0.2850 -0.1326 27 -0.0258 -0.1565 0.1038 -0.1277 -0.0086 -0.0573 -0.0082 0.0360 28 -0.0540 0.1314 0.1992 0.1279 -0.1688 0.5985 0.0214 -0.1928 29 -0.0207 0.3710 -0.3482 0.0974 0.1109 -0.3854 -0.0842 0.1035 30 -0.0709 0.3997 -0.3519 0.1831 -0.0510 0.0802 -0.0081 -0.0077 Root No. 25 26 27 28 29 30 25 26 27 28 29 30 1542.5 1587.0 1791.2 2405.8 3767.8 4477.9 1 -0.0060 0.1103 0.0258 0.0174 0.0003 -0.0001 2 0.0065 0.0201 -0.0212 -0.0004 -0.0011 -0.0001 3 0.0006 -0.0548 -0.0072 -0.0077 0.0001 0.0001 4 0.0036 0.0266 -0.0736 -0.0692 -0.0164 -0.0011 5 0.0517 -0.6372 -0.0360 -0.0979 -0.0137 -0.0008 6 0.0061 0.1185 0.0598 0.0679 0.0124 0.0009 7 0.0223 -0.2792 0.0108 -0.0070 0.0004 0.0003 8 -0.0714 0.6668 0.0565 0.0227 0.0030 0.0010 9 0.0036 -0.0034 -0.0163 0.0011 -0.0004 -0.0004 10 0.0771 0.0165 0.0273 -0.0124 0.0156 -0.0052 11 0.1408 0.0100 -0.0506 0.0239 -0.0183 -0.0265 12 0.0045 -0.0015 0.0234 -0.0141 0.0009 0.0143 13 -0.0882 0.0052 0.0182 -0.0354 0.0067 -0.0112 14 -0.1124 -0.0132 -0.0090 0.0196 0.0023 -0.0093 15 -0.0546 -0.0030 -0.0437 0.0221 -0.0017 -0.0121 16 -0.0609 -0.0158 0.0324 -0.0061 0.0037 -0.1049 17 0.0166 0.0291 -0.0716 -0.0763 0.0099 -0.0846 18 -0.1215 -0.0061 -0.0169 0.0107 0.0119 -0.0238 19 0.1320 0.1006 -0.1769 -0.0816 -0.0950 0.7596 20 -0.3213 -0.1370 0.1842 0.2338 -0.0677 0.6041 21 0.8395 0.0290 0.0688 0.0801 -0.0304 0.1073 22 0.1334 -0.0463 0.0462 0.7626 -0.2479 -0.1287 23 0.0755 -0.0224 0.6210 0.1070 0.6892 0.0775 24 0.2118 0.0036 0.3105 -0.4277 -0.3184 0.0095 25 0.0790 0.0405 -0.2080 -0.2534 0.2393 0.0230 26 -0.0984 0.0100 0.4678 -0.0292 -0.4638 -0.0484 27 0.0248 -0.0297 -0.2427 0.1444 0.2681 0.0249 28 -0.0837 -0.0584 0.0582 -0.0843 0.0313 0.0161 29 0.0388 0.0231 -0.3057 0.1588 -0.0203 0.0074 30 -0.0700 0.0199 -0.0191 -0.0954 -0.0212 -0.0090 INPUT FILE "G:\test\FORCE\Step 4-5 FORCE.mop" MISSING OR EMPTY ****************************************************************************** * * * Error and normal termination messages reported in this calculation * * * * INPUT FILE "G:\test\FORCE\Step 4-5 FORCE.mop" MISSING OR EMPTY * * JOB ENDED NORMALLY * * * ****************************************************************************** TOTAL JOB TIME: 115148.08 SECONDS == MOPAC DONE ==